Compound Detail
CHEMBL320374
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Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(P(=O)(O)O)c(P(=O)(O)O)c3)nc21
Basic Information
| ChEMBL ID | CHEMBL320374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNNFQNIEDVPEBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.2
MW (Da)
2.65
ALogP
7
HBA
5
HBD
174.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of Src protein tyrosine kinase | 12941336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941336 | 10.1016/s0960-894x(03)00649-8 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine